bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide

C87H145N11O23U4-24 — CID 139150847

IUPACbis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide
SMILESCC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[U].[U].[U].[U]
InChIInChI=1S/2C33H49N2O3.7C3H7NO.2H2O.8O.4U/c2*1-30(2,3)23-13-21(28(37)26(15-23)32(7,8)9)17-34-19-25(36)20-35-18-22-14-24(31(4,5)6)16-27(29(22)38)33(10,11)12;7*1-4(2)3-5;;;;;;;;;;;;;;/h2*13-18,25,37-38H,19-20H2,1-12H3;7*3H,1-2H3;2*1H2;;;;;;;;;;;;/q2*-1;;;;;;;;;;8*-2;;;;/p-6/b2*34-17+,35-18+;;;;;;;;;;;;;;;;;;;;;
InChIKeyGBGWDWVLZLHDSI-FJPCMZCASA-H
MW2665.29 g/mol
LogP7.21
Rot. Bonds19

About bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide

bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide (PubChem CID 139150847) has the molecular formula C87H145N11O23U4-24 and a molecular weight of 2665.29 g/mol. Its IUPAC name is bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide.

Molecular Properties

Compound Namebis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide
PubChem CID139150847
Molecular FormulaC87H145N11O23U4-24
Molecular Weight2665.29 g/mol
Exact Mass2664.27
IUPAC Namebis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide
SMILESCC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[U].[U].[U].[U]
InChIInChI=1S/2C33H49N2O3.7C3H7NO.2H2O.8O.4U/c2*1-30(2,3)23-13-21(28(37)26(15-23)32(7,8)9)17-34-19-25(36)20-35-18-22-14-24(31(4,5)6)16-27(29(22)38)33(10,11)12;7*1-4(2)3-5;;;;;;;;;;;;;;/h2*13-18,25,37-38H,19-20H2,1-12H3;7*3H,1-2H3;2*1H2;;;;;;;;;;;;/q2*-1;;;;;;;;;;8*-2;;;;/p-6/b2*34-17+,35-18+;;;;;;;;;;;;;;;;;;;;;
InChIKeyGBGWDWVLZLHDSI-FJPCMZCASA-H
XLogP7.21
TPSA617.97 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.29
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide?
The IUPAC name of bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide (CID 139150847) is bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide.
What is the SMILES notation for bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide?
The canonical SMILES for bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide is CC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(/C=N/CC([O-])C/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.CN(C)C=O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[U].[U].[U].[U].
What is the InChIKey of bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide?
The InChIKey is GBGWDWVLZLHDSI-FJPCMZCASA-H. The full InChI is InChI=1S/2C33H49N2O3.7C3H7NO.2H2O.8O.4U/c2*1-30(2,3)23-13-21(28(37)26(15-23)32(7,8)9)17-34-19-25(36)20-35-18-22-14-24(31(4,5)6)16-27(29(22)38)33(10,11)12;7*1-4(2)3-5;;;;;;;;;;;;;;/h2*13-18,25,37-38H,19-20H2,1-12H3;7*3H,1-2H3;2*1H2;;;;;;;;;;;;/q2*-1;;;;;;;;;;8*-2;;;;/p-6/b2*34-17+,35-18+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide?
bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide has a molecular weight of 2665.29 g/mol, XLogP of 7.21, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2-oxidopropyl]iminomethyl]phenolate);heptakis(N,N-dimethylformamide);octakis(oxygen(2-));uranium;dihydroxide is sourced from PubChem (CID 139150847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).